[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate

C23H41NO5Si — CID 68993179

IUPAC[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate
SMILESCC(CO)N(C(=O)Oc1ccccc1OCCCO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H41NO5Si/c1-18(17-25)24(22(2,3)4)21(26)29-20-14-11-10-13-19(20)27-15-12-16-28-30(8,9)23(5,6)7/h10-11,13-14,18,25H,12,15-17H2,1-9H3
InChIKeyGSLRJHSFAQGGQL-UHFFFAOYSA-N
MW439.67 g/mol
LogP5.46
Rot. Bonds9

About [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate

[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate (PubChem CID 68993179) has the molecular formula C23H41NO5Si and a molecular weight of 439.67 g/mol. Its IUPAC name is [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Name[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate
PubChem CID68993179
Molecular FormulaC23H41NO5Si
Molecular Weight439.67 g/mol
Exact Mass439.28
IUPAC Name[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate
SMILESCC(CO)N(C(=O)Oc1ccccc1OCCCO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H41NO5Si/c1-18(17-25)24(22(2,3)4)21(26)29-20-14-11-10-13-19(20)27-15-12-16-28-30(8,9)23(5,6)7/h10-11,13-14,18,25H,12,15-17H2,1-9H3
InChIKeyGSLRJHSFAQGGQL-UHFFFAOYSA-N
XLogP5.46
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.67
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate?
The IUPAC name of [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate (CID 68993179) is [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate?
The canonical SMILES for [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate is CC(CO)N(C(=O)Oc1ccccc1OCCCO[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate?
The InChIKey is GSLRJHSFAQGGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO5Si/c1-18(17-25)24(22(2,3)4)21(26)29-20-14-11-10-13-19(20)27-15-12-16-28-30(8,9)23(5,6)7/h10-11,13-14,18,25H,12,15-17H2,1-9H3.
What are the key properties of [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate?
[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate has a molecular weight of 439.67 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl] N-tert-butyl-N-(1-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 68993179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).